Geometry & MOs

Info

ID:	235142
PubChem CID:	92304115
Reduced:	NC14H29 (1)
Stoich.:	AB14C29 (1)
Weight, g/mol:	297.122575
ΔH_f, kcal/mol:	-59.71
Dipole, Da:	2.02
IP(EA), eV:	-8.8(3.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

prop-2-enyl (7R)-5-methyl-7-pyridin-4-yl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate

Drug info:

PubChemData

Smile

CC[C@H]1CCN[C@H]1C[C@@H](C)CC(C)(C)C

DOS

IR

Vibrations